ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol

C16H26O2 — CID 91429553

IUPACethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol
SMILESCC.CC1(C)CC(Oc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C14H20O2.C2H6/c1-13(2)9-12(14(13,3)4)16-11-7-5-10(15)6-8-11;1-2/h5-8,12,15H,9H2,1-4H3;1-2H3
InChIKeyBLBPBLRITQDWPU-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.62
Rot. Bonds2

About ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol

ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol (PubChem CID 91429553) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol.

Molecular Properties

Compound Nameethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol
PubChem CID91429553
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol
SMILESCC.CC1(C)CC(Oc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C14H20O2.C2H6/c1-13(2)9-12(14(13,3)4)16-11-7-5-10(15)6-8-11;1-2/h5-8,12,15H,9H2,1-4H3;1-2H3
InChIKeyBLBPBLRITQDWPU-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol?
The IUPAC name of ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol (CID 91429553) is ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol.
What is the SMILES notation for ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol?
The canonical SMILES for ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol is CC.CC1(C)CC(Oc2ccc(O)cc2)C1(C)C.
What is the InChIKey of ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol?
The InChIKey is BLBPBLRITQDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C2H6/c1-13(2)9-12(14(13,3)4)16-11-7-5-10(15)6-8-11;1-2/h5-8,12,15H,9H2,1-4H3;1-2H3.
What are the key properties of ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol?
ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol has a molecular weight of 250.38 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2,2,3,3-tetramethylcyclobutyl)oxyphenol is sourced from PubChem (CID 91429553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).